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CHEBI:223876 - 3-Epipachymic acid
| Formula | C33H52O5 |
| Net Charge | 0 |
| Average Mass | 528.774 |
| Monoisotopic Mass | 528.38147 |
| SMILES | C=C(CC[C@H](C(=O)O)[C@H]1[C@H](O)C[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]1CC3)C(C)C |
| InChI | InChI=1S/C33H52O5/c1-19(2)20(3)10-11-22(29(36)37)28-25(35)18-33(9)24-12-13-26-30(5,6)27(38-21(4)34)15-16-31(26,7)23(24)14-17-32(28,33)8/h19,22,25-28,35H,3,10-18H2,1-2,4-9H3,(H,36,37)/t22-,25+,26-,27+,28-,31+,32+,33-/m0/s1 |
| InChIKey | VDYCLYGKCGVBHN-FOWHHFFXSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Ganoderma resinaceum (ncbitaxon:34465) | - | PubMed (17943562) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-Epipachymic acid (CHEBI:223876) is a triterpenoid (CHEBI:36615) |
| IUPAC Name |
|---|
| (2S)-2-[(3R,5R,10S,13R,14R,16R,17R)-3-acetyloxy-16-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 78441211 | ChemSpider |